@MOLECULE (E)-4,8,8-trimethylnon-4-ene 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5140 -0.5466 -1.3818 C.3 1 UNL11111111 -0.9351 2 C -3.1375 -0.1310 0.0485 C.3 1 UNL11111111 0.7636 3 C -3.2466 1.3957 0.1871 C.3 1 UNL11111111 -0.9812 4 C -4.1206 -0.7904 1.0355 C.3 1 UNL11111111 -1.0707 5 C -1.7121 -0.6095 0.4050 C.3 1 UNL11111111 -0.6015 6 C -0.6317 -0.1059 -0.5649 C.3 1 UNL11111111 -0.1157 7 C 0.7225 -0.4673 -0.0495 C.2 1 UNL11111111 -0.5258 8 C 1.7163 0.4011 0.1784 C.2 1 UNL11111111 0.2928 9 C 1.6065 1.8729 -0.0465 C.3 1 UNL11111111 -0.9255 10 C 3.0451 -0.0754 0.6924 C.3 1 UNL11111111 -0.5695 11 C 4.0193 -0.2716 -0.4813 C.3 1 UNL11111111 -0.0093 12 C 5.3825 -0.7503 0.0147 C.3 1 UNL11111111 -0.8362 13 H -2.9062 -0.0230 -2.1266 H 1 UNL11111111 0.2347 14 H -3.3716 -1.6214 -1.5333 H 1 UNL11111111 0.2524 15 H -4.5625 -0.3170 -1.5978 H 1 UNL11111111 0.2496 16 H -4.2741 1.7357 0.0225 H 1 UNL11111111 0.2589 17 H -2.9425 1.7278 1.1848 H 1 UNL11111111 0.2607 18 H -2.6116 1.9116 -0.5397 H 1 UNL11111111 0.2603 19 H -4.0978 -1.8814 0.9531 H 1 UNL11111111 0.2736 20 H -3.8806 -0.5291 2.0708 H 1 UNL11111111 0.2716 21 H -5.1492 -0.4680 0.8451 H 1 UNL11111111 0.2895 22 H -1.4635 -0.2769 1.4314 H 1 UNL11111111 0.2237 23 H -1.6928 -1.7149 0.4342 H 1 UNL11111111 0.2001 24 H -0.7782 -0.5562 -1.5690 H 1 UNL11111111 0.1493 25 H -0.7382 0.9862 -0.7108 H 1 UNL11111111 0.1411 26 H 0.8575 -1.5323 0.1351 H 1 UNL11111111 0.2613 27 H 1.0410 2.3498 0.7677 H 1 UNL11111111 0.2815 28 H 2.5879 2.3633 -0.0914 H 1 UNL11111111 0.2731 29 H 1.0909 2.1091 -0.9875 H 1 UNL11111111 0.2635 30 H 3.4646 0.6469 1.4197 H 1 UNL11111111 0.2292 31 H 2.9391 -1.0238 1.2549 H 1 UNL11111111 0.1991 32 H 3.5962 -1.0008 -1.1987 H 1 UNL11111111 0.1120 33 H 4.1278 0.6748 -1.0441 H 1 UNL11111111 0.1213 34 H 5.8341 -0.0291 0.7044 H 1 UNL11111111 0.2386 35 H 5.3035 -1.7070 0.5431 H 1 UNL11111111 0.2475 36 H 6.0803 -0.8912 -0.8182 H 1 UNL11111111 0.2221 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 6 25 1 25 7 26 1 26 9 27 1 27 9 28 1 28 9 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1